Information card for entry 7043154

Structure parameters

• Common name: NH2-bppy
• Chemical name: 2-(4-aminopyrazol-1-yl)-6-(pyrazol-1-yl)pyridine
• Formula: C12 H11 N5
• Calculated formula: C11 H10 N6
• SMILES: c1(cccc(n1)n1cc(cn1)N)n1cccn1
• Title of publication: Synthesis and Electronic Investigation of Mono- and Di-substituted 4-Nitro- and 4-Amino-bis(pyrazol-1-yl)pyridine-type Ligands and Luminescent Eu(III) Derivatives
• Authors of publication: Strohecker, Daniel; Lynch, Vincent; Holliday, Bradley; Jones, Richard A.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 22.9809 ± 0.0016 Å
• b: 3.7881 ± 0.0003 Å
• c: 12.2183 ± 0.0009 Å
• α: 90°
• β: 104.812 ± 0.007°
• γ: 90°
• Cell volume: 1028.31 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0803
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1865
• Weighted residual factors for all reflections included in the refinement: 0.2137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No